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Home > Nitro Compounds > 58032-84-1
58032-84-1 | (3-Nitrophenyl)methanesulfonyl chloride
CAS No: 58032-84-1 Catalog No: AG003JTQ MDL No:MFCD01859935
Product Description
Catalog Number:
AG003JTQ
Chemical Name:
(3-Nitrophenyl)methanesulfonyl chloride
CAS Number:
58032-84-1
Molecular Formula:
C7H6ClNO4S
Molecular Weight:
235.6448
MDL Number:
MFCD01859935
IUPAC Name:
(3-nitrophenyl)methanesulfonyl chloride
InChI:
InChI=1S/C7H6ClNO4S/c8-14(12,13)5-6-2-1-3-7(4-6)9(10)11/h1-4H,5H2
InChI Key:
IUYFKLDRPZLAQQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)CS(=O)(=O)Cl
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.971g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.638g/mol
Monoisotopic Mass:
234.971g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Synthesis of sulfonamide-based kinase inhibitors from sulfonates by exploiting the abrogated SN2 reactivity of 2,2,2-trifluoroethoxysulfonates. | Organic & biomolecular chemistry 20100521 |
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